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Update README.md
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florianjoerg authored Oct 6, 2023
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[//]: <[![GitHub stars](https://img.shields.io/github/stars/florianj77/protex)](https://github.com/florianj77/protex/stargazers)>
[//]: <[![codecov](https://codecov.io/gh/florianj77/protex/branch/main/graph/badge.svg?token=ddqu0BzewU)](https://codecov.io/gh/florianj77/protex)>

<p align="center">
<img src="https://github.com/florianjoerg/protex/blob/main/docs/assets/images/protex_logo.png" alt="Protex Logo"/>
</p>

Protex enables proton exchange in solvent molecules using openMM. The simulations are augmented by possible (de-)protonation events using a single topology approach with two different λ-states.[^1]

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